NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0725 8.1545 117.9050 60.8608 32.7355 175.3262 4 T 4.3822 8.2366 118.2036 58.6229 69.7189 169.0264 5 Q 4.6750 8.8434 122.5295 54.7669 33.9417 173.9146 6 T 4.3816 8.1940 116.5950 62.6303 69.5231 175.3192 7 M 4.2720 8.3167 125.7630 55.4056 31.4464 176.5982 8 K 4.0629 8.0684 120.9670 55.6898 32.5233 176.9323 9 D 4.9653 7.8296 117.8726 51.9650 43.3640 175.3146 10 L 4.7639 8.5347 128.0269 53.3823 44.1883 175.5504 11 D 4.7672 9.3278 126.6986 52.3287 40.4738 176.6611 12 V 3.8910 8.1187 125.6477 65.0366 31.8060 178.1438 13 Q 4.1377 8.2042 120.6488 59.0291 28.6984 178.2174 14 K 4.3902 7.9076 116.8164 55.2128 31.9675 181.3477 15 V 4.3441 7.5905 109.0302 63.1574 31.8465 176.5806 16 A 4.4147 7.4683 123.0567 52.8879 19.4246 176.5981 17 G 3.8365 8.2976 106.4611 44.5466 0.0000 172.5917 18 T 4.5856 8.1754 118.9378 62.8266 69.2820 174.5442 19 W 5.2295 8.5532 125.1092 55.1235 33.6163 174.3232 20 Y 4.9522 9.6257 118.1595 56.5443 41.6592 175.4875 21 S 4.5512 9.1110 120.1336 58.5637 61.9475 173.6307 22 L 4.4199 9.1613 128.4948 57.5943 43.2401 176.1597 23 A 5.3078 7.6340 118.0005 51.3085 23.4615 174.8364 24 M 5.3321 9.0769 116.9739 54.4648 37.1795 174.2459 25 A 5.2956 9.5716 124.3198 50.2962 23.3269 174.6216 26 A 5.1198 8.5357 119.8381 50.2534 22.5100 177.7451 27 S 4.4378 9.0544 115.3631 59.6395 63.7723 173.9965 28 D 4.9243 7.8827 120.4494 51.9410 43.3486 176.2109 29 I 3.7506 8.5592 127.7138 64.5508 37.3363 178.4915 30 S 4.2435 8.1331 113.6235 60.8185 63.2016 175.6033 31 L 4.1018 7.8944 120.7562 56.7225 41.4166 177.8356 32 L 4.6161 7.7661 117.2863 54.2094 42.9144 175.5738 33 D 4.5602 8.2722 116.8936 56.1478 41.1561 173.7896 34 A 4.3920 8.3927 126.0710 49.8948 18.7885 178.6155 35 Q 3.8980 8.2839 120.1344 57.8351 28.8282 177.5523 36 S 4.7696 7.5689 110.4220 57.5563 63.7946 173.9918 37 A 4.1370 7.5568 124.3755 52.0965 18.6352 177.5918 38 P 4.2907 0.0000 0.0000 65.1610 31.5194 177.5418 39 L 4.5633 8.0373 115.4344 54.5359 42.2228 177.6952 40 R 4.1272 7.5646 121.1103 55.0241 28.3526 175.8690 41 V 4.5234 7.0912 112.2253 59.4925 34.7636 175.2312 42 Y 4.6409 8.6480 121.1954 55.9499 40.1659 175.3872 43 V 4.0130 8.6603 125.9664 63.3580 31.8090 175.5153 44 E 4.3470 9.3663 127.6963 58.3109 31.4191 175.7810 45 E 5.1982 7.6923 116.7562 55.1940 33.4263 174.0710 46 L 5.1185 9.0561 125.6199 52.9745 44.9581 175.6284 47 K 4.8141 9.2886 123.8186 53.5363 34.3728 173.9670 48 P 4.9033 0.0000 0.0000 63.0130 32.2220 176.3181 49 T 4.4454 8.7819 113.3761 59.8693 70.7085 174.1987 50 P 4.2160 0.0000 0.0000 65.6811 31.4666 178.0774 51 G 3.7090 8.0123 103.8434 46.0456 0.0000 174.1740 52 G 3.9585 8.2515 107.9504 45.2018 0.0000 173.7571 53 D 4.8533 7.8658 119.3391 54.0569 42.6806 174.8246 54 L 4.7844 8.5940 122.4321 53.2624 44.5939 174.6184 55 E 4.7321 8.9347 128.1936 55.2606 31.4670 174.5473 56 I 4.4992 8.8549 128.2021 59.6369 39.6520 174.3853 57 L 5.0986 8.9843 128.0939 52.9514 43.7618 175.7675 58 L 5.2096 8.6516 122.8839 54.7521 44.8240 174.5094 59 Q 5.7245 9.0895 117.1013 53.3454 32.5786 175.0518 60 K 4.9860 8.5093 122.1439 54.5568 36.1173 174.7929 61 W 4.5203 9.5737 129.3367 58.8086 29.0058 175.1944 62 E 4.5305 8.8923 119.8189 57.0239 31.5496 172.9358 63 N 4.9751 7.3395 113.9360 51.8686 39.1835 175.6006 64 G 3.2975 7.9732 104.5042 44.8420 0.0000 172.0840 65 K 4.3346 6.7019 119.7213 54.1486 36.1184 175.6824 66 C 4.9008 8.5623 121.9920 56.9922 41.0604 172.9130 67 A 4.8605 8.5876 123.2210 50.1625 22.7472 174.8404 68 Q 4.8235 8.6641 121.1126 55.6836 30.3820 175.2643 69 K 4.7777 9.1039 124.6386 54.4822 36.2528 175.0934 70 K 5.0091 8.6804 122.2702 54.7365 34.6189 175.4878 71 I 4.5341 8.5024 125.7678 59.4560 40.4181 174.5556 72 I 4.6123 8.4494 127.4557 60.0198 38.5504 174.9122 73 A 4.7605 9.0373 130.0180 50.4219 20.6206 175.4749 74 E 4.8660 9.4194 123.6386 55.7803 30.9055 177.1428 75 K 4.4446 9.6641 124.8221 57.3278 33.6926 175.7560 76 T 4.7560 7.8582 112.9136 60.4251 71.8973 174.2067 77 E 4.0515 8.8844 116.2142 57.7459 29.8343 173.8895 78 I 4.2089 7.3540 118.9110 60.3589 37.5356 174.2472 79 P 3.9669 0.0000 0.0000 64.7367 31.9107 177.5202 80 A 4.7320 7.5770 118.8965 51.7259 19.8171 175.8315 81 V 4.5825 6.9890 118.7260 62.4571 34.3119 174.7526 82 F 5.0633 9.2224 126.8122 55.5709 42.3981 174.8925 83 K 5.0271 8.9158 122.1908 55.8082 33.5471 176.0899 84 I 4.9636 8.2943 117.2829 59.1272 41.4774 174.0062 85 D 5.4242 8.1941 120.8273 51.1982 40.4718 173.7370 86 A 4.3939 8.9698 122.8240 51.7018 22.8887 176.3381 87 L 3.5942 9.4115 116.5668 55.6337 39.3273 175.3630 88 N 4.1979 8.3416 111.3333 53.9496 36.3427 174.0419 89 E 4.5962 7.9941 118.4681 55.3349 31.0317 176.0188 90 N 5.8358 8.7607 117.2444 51.8437 39.0916 173.7749 91 K 5.0678 7.8279 117.8857 55.4428 37.1418 174.7666 92 V 5.0708 8.8291 122.6592 61.1835 34.9633 174.3387 93 L 5.1549 9.1979 127.0112 52.9567 45.3090 175.9268 94 V 4.2690 8.6661 125.8926 62.5449 31.7882 176.6593 95 L 4.3449 9.2451 129.7285 57.6887 42.3500 177.2144 96 D 4.6624 7.9415 114.7068 54.0837 44.3987 174.5318 97 T 4.4021 8.3147 117.5586 61.0839 70.2753 172.7995 98 D 4.6166 7.0429 123.5755 52.6072 40.1015 177.5371 99 Y 4.0806 7.5250 122.4224 59.0609 37.5898 170.9739 100 K 4.4270 8.0083 118.8191 54.6816 32.9851 180.1115 101 K 4.7253 8.0672 116.9898 57.8533 34.7063 175.6441 102 Y 5.5790 8.4529 116.0451 55.6747 42.0456 173.9976 103 L 4.9445 8.9763 121.6430 53.4974 46.2082 174.6830 104 L 5.3292 9.2637 126.2192 53.0169 44.5578 175.5620 105 F 5.5485 8.6087 117.8744 55.3677 42.1252 172.8666 106 C 5.5116 9.5171 115.5008 55.3677 45.7969 173.3049 107 M 5.6298 9.3728 118.9287 53.9774 34.5111 174.0099 108 E 5.3567 8.8258 116.9664 56.8195 34.0448 173.3026 109 N 5.3142 8.6246 121.3884 52.5215 40.0152 176.0024 110 S 4.1189 9.6602 124.4202 61.2202 62.5475 172.4256 111 A 4.1801 7.9760 124.5397 55.3628 18.6159 178.3130 112 E 4.7827 8.2218 111.3080 53.5877 30.5281 178.2118 113 P 4.4847 0.0000 0.0000 65.7054 32.5919 178.4016 114 E 4.2080 8.1219 116.9591 58.9262 29.8089 178.3726 115 Q 4.2608 7.6746 114.8509 57.6150 28.8025 176.3352 116 S 4.6711 7.4323 109.1509 57.4204 64.5200 173.6367 117 L 4.4862 7.7843 122.0100 55.3085 42.8447 175.4391 118 A 5.1834 9.1034 127.6538 50.3909 22.7642 173.9398 119 C 5.1566 9.5557 117.8213 55.2469 39.0953 173.3628 120 Q 4.8692 7.9253 120.5399 54.1120 32.8069 174.3737 121 C 4.5678 7.8525 121.5318 57.6459 33.0612 172.7275 122 L 5.1322 8.8556 127.2151 54.3434 43.0825 176.6270 123 V 5.3439 9.5445 115.1338 59.9241 35.6011 176.9137 124 R 3.9395 8.4500 121.1782 58.2127 30.4332 177.3136 125 T 4.7766 7.7952 106.8669 58.9021 72.1233 172.5081 126 P 4.0080 0.0000 0.0000 61.9318 29.8866 176.4531 *127 E 4.6433 7.2574 113.4899 54.4384 34.1156 177.0356 128 V 3.5652 8.3972 121.7551 61.8797 31.3228 176.1293 129 D 4.6918 8.4366 125.8330 52.7691 41.6641 176.0247 130 D 4.4247 8.5404 128.4494 57.0578 40.7673 178.2996 131 E 3.8976 8.1687 119.5650 59.1723 29.7513 178.5304 132 A 3.6298 7.9293 121.0000 55.3222 18.3665 179.5577 133 M 4.2465 8.1817 119.1468 58.8038 31.9339 179.3045 *134 E 4.1126 7.9004 118.6391 60.6102 30.1227 183.2042 135 K 4.2398 7.7598 118.9476 58.9077 32.0299 179.4139 136 F 4.2929 8.1686 121.3903 61.4199 39.4962 177.0160 137 D 4.2074 8.3885 118.9757 57.0786 40.3199 178.7909 138 K 3.8773 7.7806 119.1859 59.4521 32.6780 178.5332 139 A 4.0690 7.7506 120.6088 55.0771 18.2577 179.6417 140 L 3.8983 7.8198 120.0350 58.2064 41.3406 180.4369 141 K 3.9567 7.5748 122.4737 59.1030 31.6909 181.4082 142 A 4.4951 7.3792 116.9714 51.8641 19.5200 176.9792 143 L 4.5610 6.9032 117.5514 52.2822 43.8601 175.8242 144 P 4.5146 0.0000 0.0000 62.1113 29.8190 175.0951 145 M 4.4073 7.3642 119.7456 55.3399 33.7207 176.2262 146 H 4.9338 8.5596 118.0091 55.4861 30.8202 173.5889 147 I 4.6738 7.4217 118.3833 59.6763 41.4302 173.5308 148 R 5.2339 8.4776 125.7864 54.5867 34.2738 174.4862 149 L 4.7281 9.2546 120.7023 53.2265 46.0429 175.7704 150 S 5.0569 8.2739 117.1978 56.7249 66.7540 173.2338 151 F 5.1714 8.6166 120.2562 55.4555 41.9521 175.3226 152 N 4.6195 9.1161 119.0907 52.5738 39.2530 174.6876 153 P 4.3306 0.0000 0.0000 65.9948 31.1036 179.2413 154 T 3.8413 7.8627 114.1763 66.8991 68.5092 176.5511 155 Q 4.0576 8.1265 118.8947 58.2818 28.5696 178.0780 156 L 4.3020 7.4578 121.7694 57.3760 42.0788 179.1667 157 E 4.1968 7.9972 120.0278 60.4988 30.5621 181.8437 158 E 4.8369 7.5259 115.6677 54.6380 29.8434 178.6464 159 Q 4.0837 7.7533 121.1344 57.0874 30.1795 176.2660 160 C 3.9027 7.5258 123.2019 56.9516 45.6154 172.4521 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *3 V 8.15 4.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 4 T 8.24 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 Q 8.84 4.68 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 6 T 8.19 4.38 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 7 M 8.32 4.27 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 8 K 8.07 4.06 0.00 1.80 1.67 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 0.99 7.81 9 D 7.83 4.97 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.53 4.76 0.00 1.68 1.61 0.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.33 4.77 0.00 2.61 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.12 3.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.16 0.00 0.00 13 Q 8.20 4.14 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 K 7.91 4.39 0.00 1.81 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.27 7.81 15 V 7.59 4.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 16 A 7.47 4.41 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.30 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.18 4.59 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 19 W 8.55 5.23 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 9.63 4.95 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.11 4.55 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.16 4.42 0.00 1.92 1.65 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.63 5.31 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 9.08 5.33 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.50 0.00 25 A 9.57 5.30 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.54 5.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.05 4.44 0.00 3.94 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.88 4.92 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.56 3.75 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.42 0.93 0.00 0.00 30 S 8.13 4.24 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.89 4.10 0.00 1.82 1.76 0.98 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.77 4.62 0.00 1.54 1.58 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.27 4.56 0.00 2.84 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.39 4.39 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.28 3.90 0.00 1.26 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.17 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 36 S 7.57 4.77 0.00 4.15 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.56 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.29 0.00 2.06 2.16 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 39 L 8.04 4.56 0.00 1.75 1.65 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.56 4.13 0.00 1.74 1.97 0.00 3.24 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.46 0.00 41 V 7.09 4.52 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.00 0.00 0.00 42 Y 8.65 4.64 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.66 4.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 44 E 9.37 4.35 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 45 E 7.69 5.20 0.00 1.98 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 46 L 9.06 5.12 0.00 1.78 1.53 0.67 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.29 4.81 0.00 1.56 1.70 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.50 7.81 48 P 0.00 4.90 0.00 2.04 2.00 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 49 T 8.78 4.45 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 50 P 0.00 4.22 0.00 2.07 2.16 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 51 G 8.01 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.25 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.87 4.85 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.59 4.78 0.00 1.08 1.06 0.37 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.93 4.73 0.00 2.14 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 56 I 8.85 4.50 1.75 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.75 0.73 0.00 0.00 57 L 8.98 5.10 0.00 1.69 1.56 0.97 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.65 5.21 0.00 1.93 1.75 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 9.09 5.72 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.13 0.00 60 K 8.51 4.99 0.00 1.88 1.68 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.63 7.81 61 W 9.57 4.52 0.00 3.38 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.89 4.53 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 63 N 7.34 4.98 0.00 2.57 2.68 0.00 0.00 6.97 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.97 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 6.70 4.33 0.00 1.58 1.43 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.28 7.81 66 C 8.56 4.90 0.00 2.88 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.59 4.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.66 4.82 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.70 0.00 69 K 9.10 4.78 0.00 1.68 1.65 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.56 7.81 70 K 8.68 5.01 0.00 1.59 1.69 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.42 7.81 71 I 8.50 4.53 1.82 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.88 0.00 0.00 72 I 8.45 4.61 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.90 0.00 0.00 73 A 9.04 4.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.42 4.87 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 75 K 9.66 4.44 0.00 1.69 2.05 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.35 7.81 76 T 7.86 4.76 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 77 E 8.88 4.05 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 78 I 7.35 4.21 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.24 0.87 0.00 0.00 79 P 0.00 3.97 0.00 2.05 2.08 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 80 A 7.58 4.73 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 6.99 4.58 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.89 0.00 0.00 82 F 9.22 5.06 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.92 5.03 0.00 1.75 1.75 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.40 7.81 84 I 8.29 4.96 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.93 0.95 0.00 0.00 85 D 8.19 5.42 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.97 4.39 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 9.41 3.59 0.00 1.80 1.76 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.34 4.20 0.00 2.88 2.92 0.00 0.00 7.09 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.99 4.60 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 90 N 8.76 5.84 0.00 2.74 3.00 0.00 0.00 6.66 6.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.83 5.07 0.00 1.72 1.73 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.47 7.81 92 V 8.83 5.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 93 L 9.20 5.15 0.00 1.62 1.60 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.67 4.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.03 0.00 0.00 95 L 9.25 4.34 0.00 1.77 1.76 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.94 4.66 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.31 4.40 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 98 D 7.04 4.62 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.53 4.08 0.00 3.25 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.01 4.43 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.22 7.81 101 K 8.07 4.73 0.00 2.08 2.06 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.42 7.81 102 Y 8.45 5.58 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.98 4.94 0.00 0.91 0.61 0.52 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.26 5.33 0.00 1.71 1.70 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.61 5.55 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 9.52 5.51 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 9.37 5.63 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 108 E 8.83 5.36 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 109 N 8.62 5.31 0.00 2.95 2.73 0.00 0.00 7.72 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 9.66 4.12 0.00 3.61 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.98 4.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.22 4.78 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 113 P 0.00 4.48 0.00 2.03 2.32 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 114 E 8.12 4.21 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 115 Q 7.67 4.26 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 116 S 7.43 4.67 0.00 4.05 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.78 4.49 0.00 2.11 1.52 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.10 5.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 9.56 5.16 0.00 2.80 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 7.93 4.87 0.00 1.17 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.07 1.82 0.00 121 C 7.85 4.57 0.00 1.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.86 5.13 0.00 1.45 1.78 0.55 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 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131 E 8.17 3.90 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 132 A 7.93 3.63 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 M 8.18 4.25 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 *134 E 7.90 4.11 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 135 K 7.76 4.24 0.00 1.48 1.74 0.00 1.19 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.35 7.81 136 F 8.17 4.29 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.39 4.21 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.78 3.88 0.00 1.86 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 139 A 7.75 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.82 3.90 0.00 1.71 1.48 0.10 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.57 3.96 0.00 1.89 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 142 A 7.38 4.50 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 6.90 4.56 0.00 1.66 1.51 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.51 0.00 2.20 2.19 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 145 M 7.36 4.41 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 146 H 8.56 4.93 0.00 3.12 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.42 4.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.27 0.96 0.00 0.00 148 R 8.48 5.23 0.00 1.66 1.78 0.00 3.16 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 149 L 9.25 4.73 0.00 1.32 0.99 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.27 5.06 0.00 3.61 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.62 5.17 0.00 2.99 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 9.12 4.62 0.00 2.96 2.83 0.00 0.00 7.12 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.33 0.00 2.13 2.19 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 154 T 7.86 3.84 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 155 Q 8.13 4.06 0.00 2.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 156 L 7.46 4.30 0.00 1.45 1.53 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.00 4.20 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 158 E 7.53 4.84 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 159 Q 7.75 4.08 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.18 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 160 C 7.53 3.90 0.00 2.36 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.